CID 3022049

Brn 4538116

Structural Information

Molecular Formula
C14H12N4O3
SMILES
CC1=CC=C(C=C1)C2=CC=C(O2)C3=NN=NN3CC(=O)O
InChI
InChI=1S/C14H12N4O3/c1-9-2-4-10(5-3-9)11-6-7-12(21-11)14-15-16-17-18(14)8-13(19)20/h2-7H,8H2,1H3,(H,19,20)
InChIKey
GFDGYPBHUJIGIR-UHFFFAOYSA-N
Compound name
2-[5-[5-(4-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09094 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09822 161.7
[M+Na]+ 307.08016 175.8
[M+NH4]+ 302.12476 167.1
[M+K]+ 323.05410 175.0
[M-H]- 283.08366 164.8
[M+Na-2H]- 305.06561 169.3
[M]+ 284.09039 164.4
[M]- 284.09149 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.